1,3,7-trimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(2-methyl-1-naphthyl)methylsulfanyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2-methyl-1-naphthalenyl)methylthio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(2-methylnaphthalen-1-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(2-methyl-1-naphthyl)methylthio]xanthine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H20N4O2S/c1-12-9-10-13-7-5-6-8-14(13)15(12)11-27-19-21-17-16(22(19)2)18(25)24(4)20(26)23(17)3/h5-10H,11H2,1-4H3